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Details

Stereochemistry ACHIRAL
Molecular Formula C26H22O8
Molecular Weight 462.4481
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIANHYDROVALRUBICIN

SMILES

CCCCC(=O)OCC(=O)C1=CC2=C(C=C1)C(O)=C3C(=O)C4=C(OC)C=CC=C4C(=O)C3=C2O

InChI

InChIKey=YQCBMYDIIYHOLY-UHFFFAOYSA-N
InChI=1S/C26H22O8/c1-3-4-8-19(28)34-12-17(27)13-9-10-14-16(11-13)25(31)21-22(23(14)29)26(32)20-15(24(21)30)6-5-7-18(20)33-2/h5-7,9-11,29,31H,3-4,8,12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C26H22O8
Molecular Weight 462.4481
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
4U05831WFQ
Record Status Validated (UNII)
Record Version